Results 121 to 130 of about 61,039 (169)

Benchmarking physics-inspired machine learning models for transition metal complexes with diverse charge and spin states.

Digit Discov
Cho Y, Briling KR, Calvino Alonso Y, Laplaza R, Corminboeuf C.   +4 more
europepmc   +1 more source

A Theoretical Prediction of the Antioxidant and Electronic Properties of Epicatechin, Procyanidin B2, Procyanidin, C1 and Cinnamtannin A2. [PDF]

Molecules
Karwowski BT.
europepmc   +1 more source

Directional Flow of Confined Polaritons in CrSBr

Advanced Materials, EarlyView.
CrSBr, a layered magnetic semiconductor, naturally channels self‐hybridized excitonpolaritons into highly directional flow. Its intrinsic optical anisotropy, high refractive index, and strong lightmatter coupling enable long‐range guided modes along the a‐axis, with propagation lengths set by their excitonphoton admixture.
Pratap Chandra Adak, Sichao Yu, Jaime Abad‐Arredondo, Biswajit Datta, Andy Cruz, Sorah Fischer, Kseniia Mosina, Zdeněk Sofer, Antonio I. Fernández‐Domínguez, Francisco J. Garcia‐Vidal, Vinod M. Menon   +10 more
wiley   +1 more source

Magnetic properties of molecules on surfaces studied with scanning probe methods. [PDF]

Natl Sci Rev
Li C, Gong C, Weismann A, Song F, Wang Y, Berndt R.   +5 more
europepmc   +1 more source

Polyimide‐Linked Hexaazatriphenylene‐Based Porous Organic Polymer with Multiple Redox‐Active Sites as a High‐Capacity Organic Cathode for Lithium‐Ion Batteries

Advanced Materials, EarlyView.
A high‐capacity polyimide‐linked porous organic polymer (HAT‐PTO) incorporating numerous redox‐active centers is synthesized via a hydrothermal reaction, delivering a high theoretical capacity of 484 mAh g−1. In situ hybridization with carboxyl‐functionalized multiwalled carbon nanotubes enhances conductivity and stability, achieving 397 mAh g−1 at C ...
Arindam Mal, Jonathan Caroni, Asia Patriarchi, Olivera Luzanin, Rafael Ramos, Jan Bitenc, Manuel Melle‐Franco, Manuel Souto   +7 more
wiley   +1 more source

Recasting Nitrogenase's Carbide Role as a Beating Heart of Steel: A Joint Inorganic and Organic Perspective for μ₆Carbide-Iron Bonding. [PDF]

Inorg Chem
Joyce JP, DeBeer S.
europepmc   +1 more source

Flexoelectrically Induced Polar Topology in Twisted SrTiO3 Membranes

Advanced Materials, EarlyView.
Twisted SrTiO3 bilayers host polar vortices of flexoelectric origin, revealed through combined experiment and theory. By reconstructing polarization from the toroidal moment of strain gradients, the work establishes a 3D chiral state with broken inversion and mirror symmetries.
Isabel Tenreiro, Hugo Aramberri, Víctor Rouco, Gabriel Sánchez‐Santolino, Mariona Cabero, Fernando Gallego, David Sánchez‐Manzano, José M. González‐Calbet, Federico Mompeán, Mar García‐Hernández, Alberto Rivera‐Calzada, Jorge Íñiguez‐González, Carlos León, Jacobo Santamaría   +13 more
wiley   +1 more source

Combined DFT Protocol for the Calculation of One-Bond ³¹P-³¹P Indirect Nuclear Spin-Spin Couplings. [PDF]

Molecules
Kondrashova SA, Latypov SK.
europepmc   +1 more source

A Cu‐Based Near‐IR Active MOF with an Ion‐Pair Guest Exhibiting Versatile and Selective Gas‐Solid Reactivity

Advanced Materials, EarlyView.
The new Cu‐containing MOF (Me2NH2)(CuICl2)@[Cu4(INA)4Cl2O]·1.5dmf (3) contains a cation and an anion as guests and shows UV‐near‐mid‐IR absorption and near‐IR emission. MOF 3 shows gas‐solid reactivity in the presence of NH3 and HCOOH to yield two new 3D MOF.
Rajat Saha, Alejandro Cortés‐Villena, Silvia Gómez‐Coca, Alberto Fernández‐Alarcón, Joaquín Calbo, Raquel E. Galian, Enrique Ortí, Eliseo Ruiz, Mónica Giménez‐Marqués, Samia Benmansour, Carlos J. Gómez‐García   +10 more
wiley   +1 more source

Direct resist-free patterning of an organic semiconductor via thermal scanning probe lithography. [PDF]

Discov Nano
Luo K, Li J, Gu Y, Ma T, Zhang J, Cao L, Zhu Z, Tang H, Xu P, Jia H, Tu M, Li X.   +11 more
europepmc   +1 more source